#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxd s GLU 538 N 0.00 1.89 -0.15 1.20 -1.05 -1.26 -4.36 118.70 114.97 3dxd s GLU 538 Ca 0.00 0.59 -0.09 0.00 -0.15 0.00 0.00 54.97 55.32 3dxd s GLU 538 Cb 0.00 -1.90 -0.24 0.00 -0.44 0.00 0.00 34.13 31.55 3dxd s GLU 538 CO 0.00 -1.75 0.26 1.28 0.95 0.00 0.00 175.26 176.01 3dxd n LEU 539 N -3.51 2.51 -4.26 1.83 4.77 0.14 -4.87 117.00 113.61 3dxd n LEU 539 Ca 0.07 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3dxd n LEU 539 Cb 0.57 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 3dxd n LEU 539 CO 0.57 0.75 -0.27 0.68 -1.33 0.00 0.00 177.39 177.79 3dxd s VAL 540 N -2.52 0.40 0.51 4.08 -7.23 -1.23 -5.09 120.40 109.32 3dxd s VAL 540 Ca -0.25 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 57.70 3dxd s VAL 540 Cb 0.07 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 3dxd s VAL 540 CO 0.71 -0.11 1.40 0.00 -0.31 0.00 0.00 175.10 176.79 3dxd n GLN 541 N -0.35 1.93 -1.45 4.82 6.02 -1.26 -4.46 117.38 122.63 3dxd n GLN 541 Ca -0.01 0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 57.31 3dxd n GLN 541 Cb 0.65 -2.61 0.07 0.00 1.02 0.00 0.00 30.24 29.37 3dxd n GLN 541 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dxd n LYS 542 N -0.70 0.61 -3.81 -1.09 5.02 -1.26 -4.86 118.16 112.06 3dxd n LYS 542 Ca 0.08 0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 56.26 3dxd n LYS 542 Cb 0.43 -2.07 -0.11 0.00 -0.02 0.00 0.00 35.03 33.26 3dxd n LYS 542 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3dxd s PHE 543 N -1.71 3.20 -0.48 2.13 0.08 -0.76 -4.82 117.98 115.62 3dxd s PHE 543 Ca 0.73 -0.06 -0.28 0.00 0.12 0.00 0.00 56.93 57.44 3dxd s PHE 543 Cb -0.38 -2.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 3dxd s PHE 543 CO 0.51 -0.08 1.07 -0.65 -0.10 0.00 0.00 175.22 175.96 3dxd s GLN 544 N 1.11 3.63 0.22 0.44 -1.52 -1.26 -1.30 119.66 120.98 3dxd s GLN 544 Ca 0.05 0.38 0.04 0.00 -1.95 0.00 0.00 55.36 53.88 3dxd s GLN 544 Cb -0.14 -3.93 -0.01 0.00 -0.22 0.00 0.00 33.01 28.71 3dxd s GLN 544 CO 0.04 -1.36 0.21 1.33 -0.25 0.00 0.00 175.29 175.26 3dxd n VAL 545 N 6.69 0.00 -4.34 1.09 0.24 0.20 -4.73 118.33 117.48 3dxd n VAL 545 Ca 0.10 -1.48 -0.34 0.00 -2.04 0.00 0.00 64.34 60.57 3dxd n VAL 545 Cb 0.49 0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 33.51 3dxd n VAL 545 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3dxd s TYR 546 N -3.04 3.02 -0.21 6.34 1.51 -0.52 -0.31 117.35 124.13 3dxd s TYR 546 Ca 0.24 -0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 55.69 3dxd s TYR 546 Cb 0.01 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3dxd s TYR 546 CO 0.17 -0.08 0.90 -0.47 -1.11 0.00 0.00 175.55 174.96 3dxd s TYR 547 N 0.49 3.36 -0.76 2.71 5.04 0.40 -1.05 117.35 127.54 3dxd s TYR 547 Ca -0.03 1.29 0.24 0.00 -2.44 0.00 0.00 57.07 56.14 3dxd s TYR 547 Cb -0.14 -3.12 0.40 0.00 0.35 0.00 0.00 41.96 39.45 3dxd s TYR 547 CO 0.03 -0.37 1.34 1.28 -1.34 0.00 0.00 175.55 176.49 3dxd n LEU 548 N 5.84 0.61 0.00 6.97 4.77 0.32 -2.59 117.00 132.92 3dxd n LEU 548 Ca 0.07 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3dxd n LEU 548 Cb 0.47 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3dxd n LEU 548 CO 0.49 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3dxd n GLY 549 N 1.39 -0.51 3.13 -0.72 0.00 -1.22 -4.93 105.19 102.34 3dxd n GLY 549 Ca 0.04 -2.21 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 3dxd n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxd s ASN 550 N -4.00 1.35 0.02 1.61 2.20 -1.26 -1.14 114.94 113.71 3dxd s ASN 550 Ca 0.00 -0.62 -0.02 0.00 -0.94 0.00 0.00 52.86 51.28 3dxd s ASN 550 Cb 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 41.25 39.22 3dxd s ASN 550 CO 0.00 -0.15 0.01 0.68 -2.94 0.00 0.00 177.10 174.70 3dxd s VAL 551 N -1.48 0.11 0.48 3.54 -7.23 -0.76 -4.95 120.40 110.12 3dxd s VAL 551 Ca -0.04 -0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 59.00 3dxd s VAL 551 Cb -0.09 -0.38 -0.07 0.00 0.56 0.00 0.00 36.38 36.40 3dxd s VAL 551 CO 0.01 -0.50 1.18 -2.16 -0.31 0.00 0.00 175.10 173.32 3dxd s PRO 552 N -1.60 3.63 0.10 4.82 0.04 -1.26 0.29 135.00 141.02 3dxd s PRO 552 Ca -0.14 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.71 3dxd s PRO 552 Cb -0.08 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3dxd s PRO 552 CO -0.01 -0.66 -0.08 0.14 0.04 0.00 0.00 177.00 176.44 3dxd s VAL 553 N -1.56 0.77 -0.33 -0.36 -7.23 -0.46 -4.81 120.40 106.42 3dxd s VAL 553 Ca 0.66 -1.85 0.22 0.00 -1.81 0.00 0.00 61.98 59.20 3dxd s VAL 553 Cb -0.29 -1.58 0.17 0.00 0.56 0.00 0.00 36.38 35.24 3dxd s VAL 553 CO 0.35 -0.78 1.35 0.00 -0.31 0.00 0.00 175.10 175.70 3dxd h ALA 554 N 3.13 0.77 -3.16 1.32 0.00 -1.97 -3.36 119.26 115.99 3dxd h ALA 554 Ca -0.36 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.13 3dxd h ALA 554 Cb 1.17 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 3dxd h ALA 554 CO 0.61 0.07 -0.76 0.15 0.00 0.00 0.00 179.25 179.32 3dxd s LYS 555 N -3.25 0.80 0.43 0.00 1.02 -1.26 -4.94 119.74 112.54 3dxd s LYS 555 Ca 0.03 -1.00 0.24 0.00 0.02 0.00 0.00 55.97 55.26 3dxd s LYS 555 Cb 0.07 -0.68 0.73 0.00 -0.52 0.00 0.00 37.83 37.43 3dxd s LYS 555 CO 0.73 0.14 1.74 -1.00 -0.92 0.00 0.00 175.35 176.03 3dxd h PRO 556 N 4.08 0.00 -4.44 -1.68 0.13 -1.96 -3.47 132.00 124.65 3dxd h PRO 556 Ca -0.39 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.55 3dxd h PRO 556 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 3dxd h PRO 556 CO 0.44 0.20 -0.70 0.14 -0.23 0.00 0.00 178.00 177.85 3dxd s VAL 557 N -3.44 0.46 0.00 1.56 -7.23 -1.26 -3.82 120.40 106.67 3dxd s VAL 557 Ca 0.02 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3dxd s VAL 557 Cb 0.09 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.68 3dxd s VAL 557 CO 0.65 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3dxd n GLY 558 N 0.37 4.31 0.22 2.32 0.00 -1.26 -4.73 105.19 106.41 3dxd n GLY 558 Ca -0.15 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 44.97 3dxd n GLY 558 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dxd h VAL 559 N 0.00 0.77 -0.53 1.61 -1.51 -1.99 -2.67 116.25 111.94 3dxd h VAL 559 Ca 0.00 -1.05 -0.07 0.00 -1.23 0.00 0.00 66.70 64.35 3dxd h VAL 559 Cb 0.00 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 3dxd h VAL 559 CO 0.00 0.25 0.04 -2.24 -1.23 0.00 0.00 177.57 174.39 3dxd h ASP 560 N 0.00 0.82 0.06 4.19 2.03 -1.99 -1.50 116.42 120.04 3dxd h ASP 560 Ca -0.00 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 56.10 3dxd h ASP 560 Cb 0.63 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3dxd h ASP 560 CO 0.03 0.87 -0.03 0.58 -1.03 0.00 0.00 179.24 179.66 3dxd h VAL 561 N 0.81 1.04 -0.19 4.15 2.07 -1.77 -1.58 116.25 120.78 3dxd h VAL 561 Ca 0.16 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 3dxd h VAL 561 Cb 0.43 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3dxd h VAL 561 CO 0.02 0.09 -0.43 0.16 0.02 0.00 0.00 177.57 177.43 3dxd h ILE 562 N -0.24 1.31 -0.08 4.57 -0.00 -1.43 -1.72 117.51 119.92 3dxd h ILE 562 Ca -0.01 -1.60 -0.14 0.00 -0.00 0.00 0.00 64.86 63.11 3dxd h ILE 562 Cb 0.21 1.63 -0.01 0.00 -0.00 0.00 0.00 36.82 38.64 3dxd h ILE 562 CO 0.01 0.49 -0.59 0.78 -0.00 0.00 0.00 178.15 178.85 3dxd h ASN 563 N 0.38 0.30 -0.39 2.16 2.35 -1.30 -0.22 115.58 118.86 3dxd h ASN 563 Ca 0.03 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3dxd h ASN 563 Cb 0.91 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 3dxd h ASN 563 CO 0.08 0.82 0.14 1.23 -1.65 0.00 0.00 177.43 178.04 3dxd h GLY 564 N 1.42 0.63 0.97 2.83 0.00 -1.08 -1.78 103.07 106.07 3dxd h GLY 564 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3dxd h GLY 564 CO 0.09 0.34 0.22 0.00 0.00 0.00 0.00 176.54 177.20 3dxd h ALA 565 N 0.98 0.52 0.12 3.60 0.00 -1.14 -2.15 119.26 121.18 3dxd h ALA 565 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dxd h ALA 565 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dxd h ALA 565 CO -0.01 0.04 -0.19 -0.07 0.00 0.00 0.00 179.25 179.02 3dxd h LEU 566 N 0.52 -0.53 -0.54 0.00 3.38 -1.00 -1.49 115.31 115.66 3dxd h LEU 566 Ca 0.14 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3dxd h LEU 566 Cb 0.05 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3dxd h LEU 566 CO -0.02 -0.27 0.16 -0.33 0.09 0.00 0.00 178.44 178.06 3dxd h GLU 567 N -0.38 0.30 0.01 1.13 5.08 -1.28 -0.48 114.58 118.98 3dxd h GLU 567 Ca 0.02 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3dxd h GLU 567 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3dxd h GLU 567 CO -0.09 0.20 -0.14 0.77 -1.00 0.00 0.00 179.01 178.75 3dxd h SER 568 N 0.31 -0.39 -0.50 1.42 0.02 -1.19 -1.27 113.55 111.96 3dxd h SER 568 Ca 0.27 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 3dxd h SER 568 Cb 0.34 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3dxd h SER 568 CO -0.31 -0.19 0.02 1.62 -1.14 0.00 0.00 176.83 176.83 3dxd h VAL 569 N -0.23 1.26 -0.20 2.27 3.04 -1.04 -2.67 116.25 118.68 3dxd h VAL 569 Ca 0.04 -1.05 -0.04 0.00 -1.01 0.00 0.00 66.70 64.65 3dxd h VAL 569 Cb 0.29 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3dxd h VAL 569 CO -0.13 0.37 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.69 3dxd h LEU 570 N 0.73 0.28 -0.88 3.16 3.38 -1.04 -2.64 115.31 118.31 3dxd h LEU 570 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dxd h LEU 570 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dxd h LEU 570 CO 0.02 0.37 0.00 0.77 0.09 0.00 0.00 178.44 179.69 3dxd h SER 571 N 0.29 0.00 -0.23 -0.43 4.64 -0.90 -3.26 113.55 113.67 3dxd h SER 571 Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 3dxd h SER 571 Cb 0.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 3dxd h SER 571 CO 0.01 0.00 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.34 3dxd n SER 572 N -3.09 2.79 -3.71 4.97 3.41 -1.00 -5.00 113.62 111.99 3dxd n SER 572 Ca 0.02 -3.45 -0.10 0.00 -0.26 0.00 0.00 58.87 55.08 3dxd n SER 572 Cb 0.39 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 3dxd n SER 572 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dxd s SER 573 N -2.49 -0.20 0.23 4.04 1.04 -1.16 -5.05 113.70 110.11 3dxd s SER 573 Ca 0.41 -0.43 0.09 0.00 0.48 0.00 0.00 55.95 56.50 3dxd s SER 573 Cb 0.36 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.93 3dxd s SER 573 CO 0.02 -0.91 -0.17 -0.94 0.98 0.00 0.00 173.24 172.23 3dxd s SER 574 N -2.84 2.95 0.57 7.02 1.04 -1.26 -4.88 113.70 116.30 3dxd s SER 574 Ca 0.06 -1.01 0.28 0.00 0.48 0.00 0.00 55.95 55.76 3dxd s SER 574 Cb 0.01 -0.20 1.52 0.00 0.10 0.00 0.00 66.02 67.45 3dxd s SER 574 CO -0.08 -0.08 2.00 0.03 0.98 0.00 0.00 173.24 176.09 3dxd h ARG 575 N 2.51 0.00 -0.08 4.02 3.08 -1.98 -0.49 114.38 121.44 3dxd h ARG 575 Ca -0.39 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.51 3dxd h ARG 575 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3dxd h ARG 575 CO 0.60 0.00 -0.60 0.93 -1.07 0.00 0.00 179.97 179.83 3dxd h GLU 576 N 0.00 0.27 0.00 0.04 5.08 -2.06 -2.91 114.58 115.01 3dxd h GLU 576 Ca 0.18 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dxd h GLU 576 Cb 0.87 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3dxd h GLU 576 CO -0.00 0.79 0.00 1.96 -1.00 0.00 0.00 179.01 180.76 3dxd h GLN 577 N 0.20 0.00 -6.75 2.33 4.20 -1.49 -3.45 115.11 110.15 3dxd h GLN 577 Ca -0.01 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3dxd h GLN 577 Cb 1.11 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.94 3dxd h GLN 577 CO 0.10 0.00 0.73 -1.58 -0.67 0.00 0.00 178.83 177.41 3dxd s TRP 578 N -3.77 3.06 -0.45 2.96 0.51 -1.10 -4.97 118.94 115.18 3dxd s TRP 578 Ca -0.01 1.09 -0.22 0.00 -2.12 0.00 0.00 56.10 54.84 3dxd s TRP 578 Cb 0.10 -3.77 0.03 0.00 -0.81 0.00 0.00 33.47 29.01 3dxd s TRP 578 CO 0.47 -2.48 0.72 0.99 -0.51 0.00 0.00 176.95 176.13 3dxd s THR 579 N -0.08 4.73 0.30 2.01 2.01 -1.07 -4.93 115.64 118.61 3dxd s THR 579 Ca 0.58 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 3dxd s THR 579 Cb -0.41 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 67.73 3dxd s THR 579 CO 0.43 -0.68 1.33 -2.16 -0.69 0.00 0.00 174.62 172.86 3dxd s PRO 580 N 3.06 4.34 0.18 4.92 0.04 -1.26 -0.45 135.00 145.83 3dxd s PRO 580 Ca 0.26 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 63.27 3dxd s PRO 580 Cb -0.13 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.37 3dxd s PRO 580 CO 0.20 -0.24 0.93 -1.54 0.04 0.00 0.00 177.00 176.39 3dxd s SER 581 N -0.20 -0.18 0.09 6.66 1.04 0.57 -1.57 113.70 120.10 3dxd s SER 581 Ca 0.52 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.53 3dxd s SER 581 Cb -0.40 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3dxd s SER 581 CO 0.49 -0.99 -0.12 -1.38 0.98 0.00 0.00 173.24 172.23 3dxd s HIS 582 N -3.33 1.11 -0.24 5.02 -3.43 -0.08 0.62 115.29 114.96 3dxd s HIS 582 Ca 0.12 -0.56 -0.06 0.00 -0.80 0.00 0.00 55.06 53.77 3dxd s HIS 582 Cb -0.02 -0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 30.50 3dxd s HIS 582 CO 0.03 0.03 0.02 0.08 -2.00 0.00 0.00 174.74 172.90 3dxd s VAL 583 N -1.90 3.85 -0.21 -5.38 1.01 -0.42 -1.04 120.40 116.31 3dxd s VAL 583 Ca 0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3dxd s VAL 583 Cb -0.06 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3dxd s VAL 583 CO 0.01 0.34 0.46 -0.55 0.00 0.00 0.00 175.10 175.37 3dxd s SER 584 N 1.54 6.47 -0.42 3.32 0.15 0.88 -1.83 113.70 123.82 3dxd s SER 584 Ca 0.06 0.57 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 3dxd s SER 584 Cb -0.15 -2.26 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 3dxd s SER 584 CO 0.00 -0.16 0.27 -0.69 1.20 0.00 0.00 173.24 173.87 3dxd s VAL 585 N 1.64 4.63 0.37 4.45 1.01 -1.26 -0.97 120.40 130.26 3dxd s VAL 585 Ca 0.21 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3dxd s VAL 585 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3dxd s VAL 585 CO 0.09 -0.42 0.28 0.00 0.00 0.00 0.00 175.10 175.04 3dxd s ALA 586 N 1.53 3.81 0.38 5.51 0.00 -0.46 0.26 121.76 132.78 3dxd s ALA 586 Ca 0.03 -1.80 0.17 0.00 0.00 0.00 0.00 51.96 50.36 3dxd s ALA 586 Cb -0.22 -0.97 1.06 0.00 0.00 0.00 0.00 23.12 22.99 3dxd s ALA 586 CO 0.05 -0.07 1.76 -1.35 0.00 0.00 0.00 175.76 176.15 3dxd h PRO 587 N 1.26 0.42 0.00 0.00 0.10 -1.90 -3.23 132.00 128.66 3dxd h PRO 587 Ca -0.43 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.64 3dxd h PRO 587 Cb 1.26 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.26 3dxd h PRO 587 CO 0.60 0.28 -0.78 0.00 0.10 0.00 0.00 178.00 178.20 3dxd n ALA 588 N -2.44 2.23 -2.70 -0.75 0.00 -1.26 -4.69 120.51 110.90 3dxd n ALA 588 Ca 0.26 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 3dxd n ALA 588 Cb 0.85 -0.11 -0.10 0.00 0.00 0.00 0.00 19.45 20.09 3dxd n ALA 588 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dxd s THR 589 N -1.89 0.14 -0.13 0.00 -4.23 -1.22 -1.04 115.64 107.28 3dxd s THR 589 Ca -0.00 -1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3dxd s THR 589 Cb 0.02 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 3dxd s THR 589 CO 0.13 -0.64 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.76 3dxd s LEU 590 N -2.01 3.18 -0.08 4.79 1.43 0.67 -1.36 118.68 125.30 3dxd s LEU 590 Ca -0.07 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3dxd s LEU 590 Cb -0.03 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3dxd s LEU 590 CO -0.04 0.22 -0.22 -0.89 0.23 0.00 0.00 176.35 175.65 3dxd s THR 591 N 0.02 1.88 -0.22 5.49 2.01 -0.14 -0.58 115.64 124.10 3dxd s THR 591 Ca -0.00 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 3dxd s THR 591 Cb -0.14 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 3dxd s THR 591 CO 0.03 0.52 0.05 -0.63 -0.69 0.00 0.00 174.62 173.90 3dxd s ILE 592 N 0.19 4.30 -0.01 1.82 1.01 0.28 -0.09 121.20 128.70 3dxd s ILE 592 Ca -0.12 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.39 3dxd s ILE 592 Cb -0.16 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3dxd s ILE 592 CO 0.06 0.39 -0.17 -0.76 0.00 0.00 0.00 174.94 174.47 3dxd s LEU 593 N 1.15 2.03 0.66 2.97 1.43 -0.20 0.59 118.68 127.32 3dxd s LEU 593 Ca 0.04 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 3dxd s LEU 593 Cb -0.14 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 3dxd s LEU 593 CO 0.03 0.20 0.94 1.57 0.23 0.00 0.00 176.35 179.32 3dxd n HIS 594 N 2.66 0.67 -0.33 0.29 -0.00 -0.28 -0.90 115.22 117.34 3dxd n HIS 594 Ca -0.15 0.41 -0.08 0.00 0.46 0.00 0.00 57.72 58.36 3dxd n HIS 594 Cb 0.54 -2.10 -0.05 0.00 -0.12 0.00 0.00 29.99 28.26 3dxd n HIS 594 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3dxd h GLN 595 N 0.12 -0.10 0.00 1.57 4.15 -1.62 -0.31 115.11 118.92 3dxd h GLN 595 Ca -0.48 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3dxd h GLN 595 Cb 1.35 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.06 3dxd h GLN 595 CO 0.49 -0.06 -0.02 0.00 -1.93 0.00 0.00 178.83 177.30 3dxd n GLN 596 N -5.36 1.83 0.23 1.69 10.64 -1.26 -4.50 117.38 120.65 3dxd n GLN 596 Ca 0.03 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.31 3dxd n GLN 596 Cb 0.33 -0.17 0.54 0.00 -0.86 0.00 0.00 30.24 30.07 3dxd n GLN 596 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 3dxd h THR 597 N 0.00 0.59 -3.97 -0.39 1.35 -1.96 -3.48 112.91 105.05 3dxd h THR 597 Ca 0.00 -0.97 -0.39 0.00 -0.55 0.00 0.00 66.41 64.50 3dxd h THR 597 Cb 0.00 1.64 0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3dxd h THR 597 CO 0.00 0.20 -0.55 -0.62 -0.25 0.00 0.00 175.52 174.30 3dxd n GLU 598 N -3.48 -3.40 -0.73 4.72 1.02 -0.13 -4.97 120.64 113.68 3dxd n GLU 598 Ca -0.01 0.89 -0.30 0.00 -0.02 0.00 0.00 57.16 57.72 3dxd n GLU 598 Cb 0.37 -5.64 0.18 0.00 -0.02 0.00 0.00 31.44 26.33 3dxd n GLU 598 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxd s ALA 599 N -3.06 1.06 -0.43 0.62 0.00 -1.26 -4.70 121.76 114.00 3dxd s ALA 599 Ca 0.18 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 3dxd s ALA 599 Cb -0.08 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3dxd s ALA 599 CO 0.22 -2.93 0.34 0.08 0.00 0.00 0.00 175.76 173.46 3dxd s VAL 600 N -2.64 5.23 0.01 0.00 1.01 -1.26 -1.12 120.40 121.63 3dxd s VAL 600 Ca 0.67 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 62.03 3dxd s VAL 600 Cb -0.23 -3.99 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 3dxd s VAL 600 CO 0.59 -0.39 1.00 -0.07 0.00 0.00 0.00 175.10 176.24 3dxd h LEU 601 N 8.71 0.00 -7.00 3.92 3.38 -0.20 -3.49 115.31 120.64 3dxd h LEU 601 Ca -0.27 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.85 3dxd h LEU 601 Cb 1.12 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.66 3dxd h LEU 601 CO 0.77 0.92 0.64 -0.83 0.09 0.00 0.00 178.44 180.04 3dxd s GLY 602 N -4.86 -0.29 -0.01 0.83 0.00 -1.01 -4.97 107.32 97.00 3dxd s GLY 602 Ca -0.01 1.72 -0.01 0.00 0.00 0.00 0.00 44.72 46.41 3dxd s GLY 602 CO 0.82 0.72 0.04 1.85 0.00 0.00 0.00 173.10 176.52 3dxd s GLU 603 N -2.00 0.04 -0.06 2.90 2.12 -1.26 -0.56 118.70 119.89 3dxd s GLU 603 Ca 0.04 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 3dxd s GLU 603 Cb -0.01 0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.44 3dxd s GLU 603 CO -0.04 -0.01 0.13 0.00 -0.54 0.00 0.00 175.26 174.80 3dxd s ARG 605 N 1.39 4.53 0.34 0.00 0.52 -1.26 -0.23 118.95 124.24 3dxd s ARG 605 Ca -0.06 1.38 0.12 0.00 -0.52 0.00 0.00 55.73 56.64 3dxd s ARG 605 Cb -0.12 -3.47 0.94 0.00 0.52 0.00 0.00 34.95 32.82 3dxd s ARG 605 CO -0.05 -0.09 1.74 0.28 0.02 0.00 0.00 175.30 177.20 3dxd h VAL 606 N 4.85 0.54 0.00 3.52 2.07 -1.43 0.54 116.25 126.34 3dxd h VAL 606 Ca -0.39 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3dxd h VAL 606 Cb 1.21 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3dxd h VAL 606 CO 0.77 0.10 -0.01 0.08 0.02 0.00 0.00 177.57 178.53 3dxd h ARG 607 N 0.54 0.00 -0.29 1.57 0.11 -1.92 -1.83 114.38 112.56 3dxd h ARG 607 Ca 0.63 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.71 3dxd h ARG 607 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3dxd h ARG 607 CO -0.42 0.01 0.00 1.19 0.10 0.00 0.00 179.97 180.85 3dxd n PHE 608 N -3.17 0.37 -2.77 4.08 3.72 0.17 -4.87 117.46 114.99 3dxd n PHE 608 Ca -0.02 -0.24 -0.43 0.00 -0.05 0.00 0.00 57.45 56.71 3dxd n PHE 608 Cb 0.14 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3dxd n PHE 608 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dxd s LEU 609 N -1.27 3.97 -0.08 4.37 0.20 -0.69 -0.51 118.68 124.67 3dxd s LEU 609 Ca 0.29 0.66 0.09 0.00 0.69 0.00 0.00 54.13 55.87 3dxd s LEU 609 Cb 0.17 -3.32 -0.24 0.00 -0.43 0.00 0.00 46.19 42.38 3dxd s LEU 609 CO 0.24 -0.87 0.52 -1.54 -0.29 0.00 0.00 176.35 174.41 3dxd n SER 610 N 6.83 1.06 -3.67 3.68 3.41 0.07 -4.96 113.62 120.03 3dxd n SER 610 Ca 0.08 0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.86 3dxd n SER 610 Cb 0.48 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 3dxd n SER 610 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3dxd s PHE 611 N -2.58 -0.37 0.05 7.33 5.36 -1.20 -4.89 117.98 121.69 3dxd s PHE 611 Ca -0.09 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.50 3dxd s PHE 611 Cb 0.08 0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.93 3dxd s PHE 611 CO 0.81 -0.46 -0.01 -0.48 -1.46 0.00 0.00 175.22 173.63 3dxd s LEU 612 N -1.16 2.38 -0.02 6.12 0.05 -1.26 -0.45 118.68 124.34 3dxd s LEU 612 Ca -0.12 -0.95 -0.28 0.00 0.05 0.00 0.00 54.13 52.83 3dxd s LEU 612 Cb -0.03 0.28 0.10 0.00 -2.05 0.00 0.00 46.19 44.48 3dxd s LEU 612 CO 0.06 -0.60 0.85 0.00 -0.55 0.00 0.00 176.35 176.10 3dxd s ALA 613 N -3.82 -1.81 0.07 1.48 0.00 -0.45 -5.00 121.76 112.23 3dxd s ALA 613 Ca 0.06 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 3dxd s ALA 613 Cb 0.07 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.34 3dxd s ALA 613 CO -0.10 -0.59 0.53 0.08 0.00 0.00 0.00 175.76 175.68 3dxd s VAL 614 N -2.61 4.83 1.00 0.00 1.01 -1.26 -1.70 120.40 121.66 3dxd s VAL 614 Ca 0.01 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 3dxd s VAL 614 Cb -0.01 -3.82 0.21 0.00 0.00 0.00 0.00 36.38 32.75 3dxd s VAL 614 CO -0.06 0.49 1.24 -0.83 0.00 0.00 0.00 175.10 175.95 3dxd s GLY 615 N -1.23 1.69 0.33 4.51 0.00 -0.26 -4.96 107.32 107.39 3dxd s GLY 615 Ca 0.30 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 44.01 3dxd s GLY 615 CO 0.18 -0.27 1.95 3.21 0.00 0.00 0.00 173.10 178.17 3dxd h ARG 616 N -1.81 0.84 -6.14 2.90 2.47 -1.96 -3.36 114.38 107.31 3dxd h ARG 616 Ca -0.45 -0.09 -0.57 0.00 -1.26 0.00 0.00 59.98 57.61 3dxd h ARG 616 Cb 1.27 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 29.37 3dxd h ARG 616 CO 0.42 0.62 0.51 0.34 0.56 0.00 0.00 179.97 182.42 3dxd s ASP 617 N -6.50 7.13 0.12 7.04 -1.08 -1.26 -4.95 116.67 117.16 3dxd s ASP 617 Ca -0.10 1.39 0.18 0.00 -0.52 0.00 0.00 52.55 53.51 3dxd s ASP 617 Cb 0.17 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.88 3dxd s ASP 617 CO 0.78 -0.44 1.56 0.55 0.52 0.00 0.00 175.17 178.14 3dxd n VAL 618 N 4.64 0.95 0.62 1.11 3.14 -1.26 -1.16 118.33 126.37 3dxd n VAL 618 Ca 0.07 0.25 0.13 0.00 -2.96 0.00 0.00 64.34 61.84 3dxd n VAL 618 Cb 0.49 -1.09 0.39 0.00 -1.06 0.00 0.00 33.84 32.56 3dxd n VAL 618 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3dxd n HIS 619 N -1.83 0.91 -3.45 1.45 8.25 -1.26 -1.44 115.22 117.85 3dxd n HIS 619 Ca 0.03 0.27 -0.37 0.00 -0.26 0.00 0.00 57.72 57.38 3dxd n HIS 619 Cb 0.19 -0.92 -0.06 0.00 1.12 0.00 0.00 29.99 30.31 3dxd n HIS 619 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dxd s THR 620 N -3.11 5.19 0.03 1.59 -4.23 -0.31 0.55 115.64 115.34 3dxd s THR 620 Ca 0.10 0.77 0.09 0.00 -1.18 0.00 0.00 61.69 61.47 3dxd s THR 620 Cb 0.12 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 3dxd s THR 620 CO 0.61 0.43 -0.25 0.12 -0.54 0.00 0.00 174.62 174.98 3dxd s PHE 621 N 0.02 2.24 -0.00 3.99 5.36 -0.50 -1.11 117.98 127.99 3dxd s PHE 621 Ca 0.22 -0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 55.75 3dxd s PHE 621 Cb -0.15 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.15 3dxd s PHE 621 CO 0.09 0.07 0.05 0.00 -1.46 0.00 0.00 175.22 173.97 3dxd s ALA 622 N -0.74 -0.10 0.09 11.12 0.00 -0.69 -0.52 121.76 130.92 3dxd s ALA 622 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.92 3dxd s ALA 622 Cb -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3dxd s ALA 622 CO 0.01 -0.13 -0.13 -0.59 0.00 0.00 0.00 175.76 174.92 3dxd s PHE 623 N -0.93 1.23 -0.16 0.00 -0.12 -0.60 -1.34 117.98 116.06 3dxd s PHE 623 Ca -0.10 -0.52 -0.05 0.00 -0.05 0.00 0.00 56.93 56.21 3dxd s PHE 623 Cb -0.06 -0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 3dxd s PHE 623 CO 0.00 0.07 0.01 0.42 -0.05 0.00 0.00 175.22 175.67 3dxd s ILE 624 N -1.69 4.35 -0.03 -4.49 1.01 0.41 -0.80 121.20 119.96 3dxd s ILE 624 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 3dxd s ILE 624 Cb -0.08 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3dxd s ILE 624 CO 0.02 0.49 0.02 -0.04 0.00 0.00 0.00 174.94 175.44 3dxd s MET 625 N 0.21 2.93 -0.74 2.79 -1.94 0.58 -0.75 119.30 122.38 3dxd s MET 625 Ca 0.01 -0.50 -0.27 0.00 -1.71 0.00 0.00 55.69 53.22 3dxd s MET 625 Cb -0.13 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 33.97 3dxd s MET 625 CO 0.02 0.66 1.29 0.00 -0.01 0.00 0.00 175.02 176.97 3dxd s ALA 626 N -1.05 2.74 0.37 3.03 0.00 0.33 -0.68 121.76 126.51 3dxd s ALA 626 Ca 0.18 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.86 3dxd s ALA 626 Cb -0.12 -4.26 0.72 0.00 0.00 0.00 0.00 23.12 19.46 3dxd s ALA 626 CO 0.08 -3.30 1.87 0.00 0.00 0.00 0.00 175.76 174.42 3dxd h ALA 627 N 10.07 1.43 -3.28 0.00 0.00 -0.86 -3.46 119.26 123.16 3dxd h ALA 627 Ca -0.27 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 3dxd h ALA 627 Cb 1.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3dxd h ALA 627 CO 1.28 0.40 0.03 0.41 0.00 0.00 0.00 179.25 181.37 3dxd n GLY 628 N -0.73 1.86 0.39 0.00 0.00 -1.17 -5.01 105.19 100.52 3dxd n GLY 628 Ca -0.01 -1.40 0.16 0.00 0.00 0.00 0.00 46.02 44.77 3dxd n GLY 628 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dxd h PRO 629 N 0.00 0.51 -0.78 1.61 0.11 -2.02 -2.70 132.00 128.72 3dxd h PRO 629 Ca -0.23 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.47 3dxd h PRO 629 Cb 0.92 -0.12 -0.41 0.00 0.11 0.00 0.00 31.00 31.50 3dxd h PRO 629 CO 0.30 0.34 -1.02 0.00 -0.21 0.00 0.00 178.00 177.40 3dxd n ALA 630 N -2.47 3.65 -3.73 -0.75 0.00 -1.26 -5.04 120.51 110.91 3dxd n ALA 630 Ca 0.19 -3.28 -0.22 0.00 0.00 0.00 0.00 53.44 50.13 3dxd n ALA 630 Cb 0.61 -0.73 -0.18 0.00 0.00 0.00 0.00 19.45 19.15 3dxd n ALA 630 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxd s SER 631 N -3.56 1.46 -0.01 0.00 0.15 -1.02 -5.08 113.70 105.64 3dxd s SER 631 Ca 0.35 -0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.03 3dxd s SER 631 Cb 0.38 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 3dxd s SER 631 CO -0.02 -0.22 -0.24 -0.36 1.20 0.00 0.00 173.24 173.60 3dxd s PHE 632 N 2.05 2.40 -0.04 3.44 0.08 -1.26 -0.16 117.98 124.51 3dxd s PHE 632 Ca 0.05 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.75 3dxd s PHE 632 Cb -0.12 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3dxd s PHE 632 CO -0.05 0.05 -0.10 0.00 -0.10 0.00 0.00 175.22 175.02 3dxd s HIS 635 N 1.53 3.46 0.04 0.00 3.76 0.02 -1.83 115.29 122.27 3dxd s HIS 635 Ca 0.05 0.51 0.05 0.00 -0.15 0.00 0.00 55.06 55.52 3dxd s HIS 635 Cb -0.15 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.27 3dxd s HIS 635 CO 0.01 0.31 -0.15 -1.64 -0.85 0.00 0.00 174.74 172.42 3dxd s MET 636 N 0.26 1.00 0.02 1.40 -1.94 -0.29 -1.56 119.30 118.18 3dxd s MET 636 Ca 0.14 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.32 3dxd s MET 636 Cb -0.12 -1.02 -0.01 0.00 2.01 0.00 0.00 34.83 35.69 3dxd s MET 636 CO 0.02 0.25 0.04 -0.06 -0.01 0.00 0.00 175.02 175.26 3dxd s PHE 637 N -0.82 0.19 -0.19 -0.03 0.40 0.32 -0.53 117.98 117.34 3dxd s PHE 637 Ca 0.02 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 3dxd s PHE 637 Cb -0.08 -0.15 -0.02 0.00 0.51 0.00 0.00 43.02 43.28 3dxd s PHE 637 CO 0.01 -0.24 -0.03 -0.46 0.70 0.00 0.00 175.22 175.20 3dxd s TRP 638 N -1.63 3.00 -0.08 0.36 -0.11 -0.22 -1.41 118.94 118.86 3dxd s TRP 638 Ca -0.14 -0.51 0.04 0.00 1.22 0.00 0.00 56.10 56.71 3dxd s TRP 638 Cb -0.08 -2.04 -0.00 0.00 -1.50 0.00 0.00 33.47 29.86 3dxd s TRP 638 CO -0.01 -0.23 -0.22 0.00 -4.62 0.00 0.00 176.95 171.87 3dxd s GLU 640 N 0.27 3.45 0.42 0.00 0.41 -1.26 -2.39 118.70 119.60 3dxd s GLU 640 Ca -0.14 -0.63 0.22 0.00 -0.41 0.00 0.00 54.97 54.00 3dxd s GLU 640 Cb -0.16 -2.71 0.35 0.00 -1.78 0.00 0.00 34.13 29.83 3dxd s GLU 640 CO 0.07 0.24 1.60 -1.00 -0.49 0.00 0.00 175.26 175.68 3dxd h PRO 641 N 6.65 0.00 0.00 0.39 0.13 -1.99 -3.49 132.00 133.70 3dxd h PRO 641 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3dxd h PRO 641 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3dxd h PRO 641 CO 0.58 0.10 0.27 0.27 -0.23 0.00 0.00 178.00 178.98 3dxd n ASN 642 N -3.13 -2.21 -0.91 1.44 0.23 -1.00 -4.73 115.26 104.94 3dxd n ASN 642 Ca 0.03 -2.53 0.07 0.00 -0.53 0.00 0.00 54.58 51.63 3dxd n ASN 642 Cb 0.56 3.68 0.21 0.00 -2.08 0.00 0.00 39.78 42.15 3dxd n ASN 642 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dxd n ALA 643 N -0.66 2.49 0.15 -2.53 0.00 -0.52 -4.59 120.51 114.85 3dxd n ALA 643 Ca -0.16 -0.86 -0.14 0.00 0.00 0.00 0.00 53.44 52.28 3dxd n ALA 643 Cb 0.57 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 3dxd n ALA 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxd h ALA 644 N 3.84 -0.31 -0.02 0.00 0.00 -1.95 -2.31 119.26 118.51 3dxd h ALA 644 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3dxd h ALA 644 Cb 0.69 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3dxd h ALA 644 CO 0.02 -0.67 -0.57 0.66 0.00 0.00 0.00 179.25 178.69 3dxd h SER 645 N -0.32 0.07 -0.20 0.00 4.64 -2.00 -1.51 113.55 114.24 3dxd h SER 645 Ca -0.03 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 3dxd h SER 645 Cb 0.24 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3dxd h SER 645 CO 0.05 0.63 -0.16 0.25 -0.87 0.00 0.00 176.83 176.73 3dxd h LEU 646 N 0.05 0.49 -0.75 5.97 5.85 -1.87 -2.25 115.31 122.79 3dxd h LEU 646 Ca -0.00 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 3dxd h LEU 646 Cb 1.03 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3dxd h LEU 646 CO 0.08 0.84 0.25 0.77 -0.34 0.00 0.00 178.44 180.04 3dxd h SER 647 N 0.14 1.08 -0.30 1.25 4.64 -1.30 -0.61 113.55 118.45 3dxd h SER 647 Ca 0.04 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3dxd h SER 647 Cb 0.69 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3dxd h SER 647 CO 0.04 0.99 0.19 -0.33 -0.87 0.00 0.00 176.83 176.85 3dxd h GLU 648 N 1.11 0.39 -0.63 4.77 5.08 -1.27 0.21 114.58 124.25 3dxd h GLU 648 Ca 0.25 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3dxd h GLU 648 Cb 0.28 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3dxd h GLU 648 CO -0.01 0.28 0.42 0.00 -1.00 0.00 0.00 179.01 178.69 3dxd h ALA 649 N 1.09 0.80 -0.21 3.43 0.00 -1.14 0.14 119.26 123.37 3dxd h ALA 649 Ca 0.11 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3dxd h ALA 649 Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3dxd h ALA 649 CO -0.02 0.23 -0.29 0.28 0.00 0.00 0.00 179.25 179.45 3dxd h VAL 650 N 0.85 1.33 -0.51 0.00 2.07 -0.93 -1.56 116.25 117.50 3dxd h VAL 650 Ca 0.23 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.28 3dxd h VAL 650 Cb -0.10 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3dxd h VAL 650 CO -0.05 0.46 0.33 -0.61 0.02 0.00 0.00 177.57 177.72 3dxd h GLN 651 N 0.25 0.65 -0.52 1.57 4.15 -0.38 -1.92 115.11 118.91 3dxd h GLN 651 Ca 0.02 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.46 3dxd h GLN 651 Cb 0.86 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 3dxd h GLN 651 CO 0.07 0.43 0.24 0.00 -1.93 0.00 0.00 178.83 177.64 3dxd h ALA 652 N 1.20 0.66 -0.60 3.38 0.00 -0.64 -1.17 119.26 122.09 3dxd h ALA 652 Ca 0.19 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3dxd h ALA 652 Cb -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3dxd h ALA 652 CO -0.05 -0.12 0.28 0.00 0.00 0.00 0.00 179.25 179.36 3dxd h ALA 653 N 1.30 0.79 -0.80 0.00 0.00 -1.07 -0.55 119.26 118.92 3dxd h ALA 653 Ca 0.24 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3dxd h ALA 653 Cb 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3dxd h ALA 653 CO -0.18 -0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.49 3dxd h MET 655 N 1.09 0.83 -0.19 0.00 2.07 -0.73 -2.11 114.93 115.90 3dxd h MET 655 Ca 0.29 -0.58 -0.01 0.00 -2.07 0.00 0.00 59.70 57.33 3dxd h MET 655 Cb -0.13 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3dxd h MET 655 CO -0.06 1.21 0.08 1.25 1.07 0.00 0.00 176.91 180.46 3dxd h LEU 656 N 0.59 0.25 -0.64 1.22 6.46 -1.09 -2.87 115.31 119.23 3dxd h LEU 656 Ca -0.01 -0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.67 3dxd h LEU 656 Cb 1.24 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.05 3dxd h LEU 656 CO 0.13 0.32 0.34 -0.09 -0.62 0.00 0.00 178.44 178.53 3dxd h ARG 657 N 0.16 0.60 -0.31 1.25 9.65 -1.16 -1.49 114.38 123.10 3dxd h ARG 657 Ca 0.06 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3dxd h ARG 657 Cb 0.14 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3dxd h ARG 657 CO -0.01 0.40 0.19 -0.92 2.80 0.00 0.00 179.97 182.43 3dxd h TYR 658 N 0.62 0.35 -0.45 2.20 3.20 -1.37 -0.82 116.97 120.70 3dxd h TYR 658 Ca 0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3dxd h TYR 658 Cb 0.21 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3dxd h TYR 658 CO -0.09 0.21 0.24 0.37 -1.64 0.00 0.00 178.16 177.25 3dxd h GLN 659 N 0.38 0.63 -0.69 1.82 5.75 -1.27 -1.14 115.11 120.60 3dxd h GLN 659 Ca 0.12 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3dxd h GLN 659 Cb -0.02 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 3dxd h GLN 659 CO -0.05 0.52 0.45 0.87 -2.65 0.00 0.00 178.83 177.97 3dxd h LYS 660 N 0.59 0.85 -0.03 1.69 1.57 -1.09 -0.78 116.57 119.38 3dxd h LYS 660 Ca 0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3dxd h LYS 660 Cb 0.08 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3dxd h LYS 660 CO -0.02 0.57 -0.02 0.00 -0.57 0.00 0.00 179.45 179.41 3dxd h LEU 662 N -0.36 0.48 -0.28 0.00 3.38 -0.97 -1.53 115.31 116.03 3dxd h LEU 662 Ca 0.01 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3dxd h LEU 662 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dxd h LEU 662 CO 0.00 0.24 -0.30 -0.78 0.09 0.00 0.00 178.44 177.69 3dxd h ASP 663 N 0.61 0.76 -0.66 -0.43 3.58 -1.15 -2.25 116.42 116.88 3dxd h ASP 663 Ca 0.41 -0.48 0.04 0.00 0.42 0.00 0.00 57.03 57.42 3dxd h ASP 663 Cb 0.52 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 3dxd h ASP 663 CO -0.33 1.08 0.39 0.00 -2.88 0.00 0.00 179.24 177.50 3dxd h ALA 664 N 0.70 0.87 0.00 -0.78 0.00 -1.04 -2.88 119.26 116.12 3dxd h ALA 664 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dxd h ALA 664 Cb 0.88 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dxd h ALA 664 CO 0.07 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3dxd n ARG 665 N -4.74 0.02 -1.06 0.00 1.74 -0.59 -2.90 116.66 109.13 3dxd n ARG 665 Ca 0.07 0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 57.14 3dxd n ARG 665 Cb 0.12 -1.53 0.28 0.00 -1.02 0.00 0.00 32.46 30.32 3dxd n ARG 665 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3dxd n SER 666 N -1.57 4.60 0.00 0.55 3.41 -0.86 -5.09 113.62 114.66 3dxd n SER 666 Ca 0.06 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 3dxd n SER 666 Cb 0.31 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3dxd n SER 666 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88